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111-12-6

111-12-6 structure
111-12-6 structure

Name Methyl 2-Octynoate
Synonyms 2-Octynoic acid, methyl ester
Methyl heptine carbonate
Methyl heptyne carbonate
1-Heptyne-1-carboxylic Acid Methyl Ester
Methyl 2-octynoate
Methyl octanoate
Methyl caprylate
methyl oct-2-ynoate
Methyl 1-Heptyne-1-carboxylate
EINECS 203-836-6
Caprylic acid methyl ester
MFCD00009530
2-Octynoic Acid Methyl Ester
Density 0.9±0.1 g/cm3
Boiling Point 218.5±0.0 °C at 760 mmHg
Molecular Formula C9H14O2
Molecular Weight 154.206
Flash Point 88.9±0.0 °C
Exact Mass 154.099380
PSA 26.30000
LogP 3.56
Vapour Pressure 0.1±0.4 mmHg at 25°C
Index of Refraction 1.444
Storage condition 2-8°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RI2735000
CHEMICAL NAME :
2-Octynoic acid, methyl ester
CAS REGISTRY NUMBER :
111-12-6
BEILSTEIN REFERENCE NO. :
1756887
LAST UPDATED :
199709
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C9-H14-O2
MOLECULAR WEIGHT :
154.23
WISWESSER LINE NOTATION :
6UU1VO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,375,1979 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,375,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,375,1979 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6742 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)
Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302-H315
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes Xn: Harmful;
Risk Phrases R22;R36/38
Safety Phrases S26-S36
WGK Germany 2
RTECS RI2735000
HS Code 2916190090
HS Code 2916190090
Summary 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%